#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5r s SER 0 N 0.00 0.49 0.47 1.61 1.04 -1.26 -5.03 113.70 111.02 1a5r s SER 0 Ca 0.00 -0.89 0.13 0.00 0.48 0.00 0.00 55.95 55.67 1a5r s SER 0 Cb 0.00 0.17 1.09 0.00 0.10 0.00 0.00 66.02 67.38 1a5r s SER 0 CO 0.00 -0.53 2.08 0.24 0.98 0.00 0.00 173.24 176.01 1a5r h MET 1 N 3.46 0.13 -7.02 4.02 0.00 -2.08 -3.42 114.93 110.01 1a5r h MET 1 Ca -0.34 -0.01 -0.47 0.00 0.00 0.00 0.00 59.70 58.88 1a5r h MET 1 Cb 1.16 -0.03 0.02 0.00 0.00 0.00 0.00 31.60 32.75 1a5r h MET 1 CO 0.61 0.14 0.39 -1.12 0.00 0.00 0.00 176.91 176.93 1a5r s SER 2 N -6.97 6.59 0.59 1.22 0.01 -1.26 -4.91 113.70 108.97 1a5r s SER 2 Ca -0.05 1.96 0.38 0.00 1.31 0.00 0.00 55.95 59.54 1a5r s SER 2 Cb 0.17 -2.57 1.75 0.00 0.21 0.00 0.00 66.02 65.58 1a5r s SER 2 CO 0.69 -0.61 2.13 -2.24 0.41 0.00 0.00 173.24 173.62 1a5r h ASP 3 N 2.02 0.00 -4.46 2.44 3.04 -2.05 -3.43 116.42 113.98 1a5r h ASP 3 Ca -0.49 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.05 1a5r h ASP 3 Cb 1.21 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.36 1a5r h ASP 3 CO 0.61 0.00 -0.69 0.00 -2.04 0.00 0.00 179.24 177.11 1a5r s GLN 4 N -3.84 0.93 -0.10 4.15 -2.07 -1.26 -5.08 119.66 112.39 1a5r s GLN 4 Ca -0.01 -1.39 0.01 0.00 -1.82 0.00 0.00 55.36 52.15 1a5r s GLN 4 Cb 0.10 -0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 31.71 1a5r s GLN 4 CO 0.50 -0.02 -0.13 -1.21 -1.32 0.00 0.00 175.29 173.10 1a5r s GLU 5 N -3.83 3.02 -0.38 9.60 8.01 -1.26 -5.01 118.70 128.85 1a5r s GLU 5 Ca 0.15 -0.68 0.02 0.00 0.01 0.00 0.00 54.97 54.46 1a5r s GLU 5 Cb 0.05 -2.53 0.15 0.00 -4.31 0.00 0.00 34.13 27.49 1a5r s GLU 5 CO -0.02 0.39 0.27 0.00 0.01 0.00 0.00 175.26 175.91 1a5r s ALA 6 N -0.11 1.19 -0.33 5.21 0.00 -1.26 -5.09 121.76 121.36 1a5r s ALA 6 Ca -0.01 -2.16 -0.19 0.00 0.00 0.00 0.00 51.96 49.59 1a5r s ALA 6 Cb -0.14 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1a5r s ALA 6 CO 0.04 -2.04 0.57 0.15 0.00 0.00 0.00 175.76 174.47 1a5r s LYS 7 N 0.57 3.74 0.59 0.00 1.02 -1.26 -4.92 119.74 119.48 1a5r s LYS 7 Ca 0.25 0.05 0.29 0.00 0.02 0.00 0.00 55.97 56.58 1a5r s LYS 7 Cb -0.10 -3.77 1.82 0.00 -0.52 0.00 0.00 37.83 35.25 1a5r s LYS 7 CO -0.09 -0.62 2.26 -1.35 -0.92 0.00 0.00 175.35 174.62 1a5r h PRO 8 N 8.36 0.00 -0.64 -1.68 0.10 -1.99 -2.22 132.00 133.93 1a5r h PRO 8 Ca -0.27 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 65.82 1a5r h PRO 8 Cb 1.12 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.19 1a5r h PRO 8 CO 0.79 0.00 0.37 0.66 0.10 0.00 0.00 178.00 179.92 1a5r h SER 9 N 0.00 0.77 -0.19 -2.05 4.64 -1.87 -2.24 113.55 112.61 1a5r h SER 9 Ca 0.00 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1a5r h SER 9 Cb 0.00 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1a5r h SER 9 CO -0.00 0.61 0.10 0.74 -0.87 0.00 0.00 176.83 177.41 1a5r h THR 10 N 0.89 1.01 -0.74 2.95 2.02 -1.71 -2.13 112.91 115.20 1a5r h THR 10 Ca 0.23 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1a5r h THR 10 Cb -0.01 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1a5r h THR 10 CO -0.04 0.04 0.44 -0.08 0.37 0.00 0.00 175.52 176.25 1a5r h GLU 11 N 0.21 1.01 -3.68 6.66 4.81 -1.61 -3.43 114.58 118.55 1a5r h GLU 11 Ca 0.07 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1a5r h GLU 11 Cb 0.01 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.05 1a5r h GLU 11 CO -0.05 0.72 -0.26 0.34 -0.73 0.00 0.00 179.01 179.04 1a5r s ASP 12 N -5.99 -0.01 -1.43 1.04 2.15 -0.84 -4.90 116.67 106.69 1a5r s ASP 12 Ca -0.13 -0.59 -0.05 0.00 0.43 0.00 0.00 52.55 52.21 1a5r s ASP 12 Cb 0.15 0.40 0.01 0.00 -0.30 0.00 0.00 42.92 43.18 1a5r s ASP 12 CO 0.79 -0.81 0.72 0.18 -0.17 0.00 0.00 175.17 175.88 1a5r n LEU 13 N -0.15 -2.81 0.00 -1.34 4.32 -1.25 -3.81 117.00 111.96 1a5r n LEU 13 Ca -0.14 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 1a5r n LEU 13 Cb 0.63 -2.87 0.00 0.00 -1.62 0.00 0.00 43.42 39.56 1a5r n LEU 13 CO 0.21 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.31 1a5r n GLY 14 N -1.60 0.27 0.29 -0.72 0.00 -0.96 -4.79 105.19 97.68 1a5r n GLY 14 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1a5r n GLY 14 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1a5r h ASP 15 N 0.00 0.42 0.00 1.61 1.82 -1.90 -3.46 116.42 114.91 1a5r h ASP 15 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1a5r h ASP 15 Cb 0.00 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.90 1a5r h ASP 15 CO 0.00 0.39 0.00 0.29 -1.61 0.00 0.00 179.24 178.31 1a5r n LYS 16 N -4.40 0.00 -4.86 0.28 5.02 -1.26 -4.45 118.16 108.48 1a5r n LYS 16 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1a5r n LYS 16 Cb 0.13 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.98 1a5r n LYS 16 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1a5r s LYS 17 N 0.00 3.01 0.27 1.97 2.20 -1.26 -4.99 119.74 120.93 1a5r s LYS 17 Ca 0.00 -0.86 -0.04 0.00 -0.36 0.00 0.00 55.97 54.71 1a5r s LYS 17 Cb 0.00 -2.37 0.34 0.00 -1.51 0.00 0.00 37.83 34.29 1a5r s LYS 17 CO 0.00 0.05 1.93 1.49 -0.36 0.00 0.00 175.35 178.46 1a5r h GLU 18 N 7.11 1.20 -7.23 4.03 4.81 -2.02 -3.43 114.58 119.05 1a5r h GLU 18 Ca -0.28 -0.09 -0.49 0.00 -0.13 0.00 0.00 59.36 58.37 1a5r h GLU 18 Cb 1.21 -0.26 0.20 0.00 0.63 0.00 0.00 28.75 30.53 1a5r h GLU 18 CO 0.52 0.81 0.15 0.20 -0.73 0.00 0.00 179.01 179.96 1a5r s GLY 19 N -3.24 1.64 -0.67 1.92 0.00 -1.26 -4.98 107.32 100.74 1a5r s GLY 19 Ca -0.12 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.00 1a5r s GLY 19 CO 0.81 0.87 0.55 1.18 0.00 0.00 0.00 173.10 176.51 1a5r n GLU 20 N -4.49 1.87 -4.71 2.90 1.02 -1.26 -5.05 120.64 110.93 1a5r n GLU 20 Ca 0.09 -4.42 -0.25 0.00 -0.02 0.00 0.00 57.16 52.55 1a5r n GLU 20 Cb 0.53 -2.22 -0.16 0.00 -0.02 0.00 0.00 31.44 29.57 1a5r n GLU 20 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1a5r s TYR 21 N -1.61 1.60 0.05 -0.32 2.02 -1.26 -3.36 117.35 114.46 1a5r s TYR 21 Ca 0.29 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1a5r s TYR 21 Cb 0.01 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.42 1a5r s TYR 21 CO -0.13 -0.24 0.01 0.96 -1.57 0.00 0.00 175.55 174.58 1a5r s ILE 22 N 0.40 0.18 -0.44 2.71 -0.00 -0.92 -3.43 121.20 119.71 1a5r s ILE 22 Ca -0.11 -1.48 -0.17 0.00 -0.00 0.00 0.00 60.65 58.89 1a5r s ILE 22 Cb -0.14 -1.19 0.03 0.00 -0.00 0.00 0.00 42.46 41.16 1a5r s ILE 22 CO 0.04 -0.82 0.45 -0.75 -0.00 0.00 0.00 174.94 173.85 1a5r s LYS 23 N -3.29 3.07 -0.16 0.37 2.20 -1.03 -0.72 119.74 120.19 1a5r s LYS 23 Ca 0.01 -0.87 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1a5r s LYS 23 Cb 0.03 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.32 1a5r s LYS 23 CO -0.08 -0.91 -0.04 -1.17 -0.36 0.00 0.00 175.35 172.79 1a5r s LEU 24 N 2.10 3.21 -0.06 5.43 0.20 0.27 -0.64 118.68 129.20 1a5r s LEU 24 Ca 0.11 -0.15 0.05 0.00 0.69 0.00 0.00 54.13 54.83 1a5r s LEU 24 Cb -0.18 -1.78 -0.00 0.00 -0.43 0.00 0.00 46.19 43.80 1a5r s LEU 24 CO 0.12 0.16 -0.21 -1.59 -0.29 0.00 0.00 176.35 174.54 1a5r s LYS 25 N 0.43 2.28 0.01 1.98 -2.85 -0.02 -2.61 119.74 118.95 1a5r s LYS 25 Ca -0.04 -0.74 0.06 0.00 -1.00 0.00 0.00 55.97 54.25 1a5r s LYS 25 Cb -0.14 -1.89 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 1a5r s LYS 25 CO 0.03 0.26 -0.20 0.14 0.10 0.00 0.00 175.35 175.68 1a5r s VAL 26 N 0.09 1.55 0.13 1.79 -7.23 -0.99 -1.86 120.40 113.87 1a5r s VAL 26 Ca -0.08 -0.95 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1a5r s VAL 26 Cb -0.14 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 1a5r s VAL 26 CO 0.04 0.34 -0.15 0.27 -0.31 0.00 0.00 175.10 175.30 1a5r s ILE 27 N -0.58 1.40 0.11 -0.62 -4.36 -0.82 -2.19 121.20 114.14 1a5r s ILE 27 Ca 0.07 -1.75 -0.03 0.00 -0.26 0.00 0.00 60.65 58.67 1a5r s ILE 27 Cb -0.08 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 1a5r s ILE 27 CO 0.00 -0.41 0.09 -0.83 0.24 0.00 0.00 174.94 174.04 1a5r s GLY 28 N -2.50 0.64 0.65 6.27 0.00 -1.19 -0.21 107.32 110.97 1a5r s GLY 28 Ca 0.10 -1.19 0.24 0.00 0.00 0.00 0.00 44.72 43.87 1a5r s GLY 28 CO 0.03 -1.18 1.71 -1.61 0.00 0.00 0.00 173.10 172.05 1a5r h GLN 29 N 2.87 0.00 -0.00 2.90 5.75 -1.85 1.32 115.11 126.09 1a5r h GLN 29 Ca -0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1a5r h GLN 29 Cb 1.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1a5r h GLN 29 CO 0.59 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.37 1a5r n ASP 30 N -2.99 0.00 -3.18 -0.69 5.68 -1.26 -4.81 116.55 109.30 1a5r n ASP 30 Ca 0.02 -1.88 -0.22 0.00 -0.50 0.00 0.00 54.79 52.21 1a5r n ASP 30 Cb 0.61 -0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.65 1a5r n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a5r n SER 31 N -0.50 -5.97 -4.35 -1.12 7.64 0.45 -4.92 113.62 104.85 1a5r n SER 31 Ca 0.00 -0.43 -0.45 0.00 1.01 0.00 0.00 58.87 59.00 1a5r n SER 31 Cb 0.00 -4.65 -0.00 0.00 -1.01 0.00 0.00 64.21 58.55 1a5r n SER 31 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a5r s SER 32 N -3.13 7.22 -0.25 6.43 1.04 -1.12 -4.88 113.70 119.01 1a5r s SER 32 Ca 0.46 -3.40 -0.10 0.00 0.48 0.00 0.00 55.95 53.39 1a5r s SER 32 Cb -0.20 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 1a5r s SER 32 CO 0.57 -0.38 0.15 -0.70 0.98 0.00 0.00 173.24 173.86 1a5r s GLU 33 N -0.73 3.95 -0.03 4.02 2.12 -1.26 -3.19 118.70 123.58 1a5r s GLU 33 Ca 0.30 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.33 1a5r s GLU 33 Cb -0.09 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.77 1a5r s GLU 33 CO -0.07 -0.07 -0.10 0.96 -0.54 0.00 0.00 175.26 175.44 1a5r s ILE 34 N 1.40 0.86 -0.23 -3.70 -5.25 -0.93 -5.00 121.20 108.35 1a5r s ILE 34 Ca 0.07 -0.39 -0.02 0.00 -0.99 0.00 0.00 60.65 59.32 1a5r s ILE 34 Cb -0.15 -0.78 0.02 0.00 2.95 0.00 0.00 42.46 44.50 1a5r s ILE 34 CO 0.07 0.27 -0.08 -1.00 -1.79 0.00 0.00 174.94 172.41 1a5r s HIS 35 N 0.29 2.99 0.24 1.37 3.76 -1.26 -2.36 115.29 120.32 1a5r s HIS 35 Ca -0.05 -1.39 -0.19 0.00 -0.15 0.00 0.00 55.06 53.27 1a5r s HIS 35 Cb -0.10 -2.05 0.02 0.00 1.11 0.00 0.00 32.58 31.56 1a5r s HIS 35 CO 0.01 -0.69 0.63 -0.59 -0.85 0.00 0.00 174.74 173.25 1a5r s PHE 36 N 1.36 -0.14 0.07 1.40 -0.71 -1.07 -5.00 117.98 113.89 1a5r s PHE 36 Ca 0.03 -0.26 0.06 0.00 -1.04 0.00 0.00 56.93 55.72 1a5r s PHE 36 Cb -0.15 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1a5r s PHE 36 CO -0.05 -1.09 -0.09 0.15 -1.34 0.00 0.00 175.22 172.79 1a5r s LYS 37 N -3.90 2.26 0.05 1.99 1.02 -1.26 0.97 119.74 120.88 1a5r s LYS 37 Ca 0.11 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 1a5r s LYS 37 Cb -0.04 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1a5r s LYS 37 CO 0.03 0.54 0.02 0.08 -0.92 0.00 0.00 175.35 175.09 1a5r s VAL 38 N -1.13 0.19 -0.23 3.17 1.01 0.10 -4.88 120.40 118.63 1a5r s VAL 38 Ca 0.20 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.49 1a5r s VAL 38 Cb -0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1a5r s VAL 38 CO 0.11 -0.87 0.15 -1.59 0.00 0.00 0.00 175.10 172.90 1a5r s LYS 39 N -3.62 4.08 -0.74 2.72 -2.85 -1.25 -2.16 119.74 115.93 1a5r s LYS 39 Ca 0.04 -0.27 -0.18 0.00 -1.00 0.00 0.00 55.97 54.56 1a5r s LYS 39 Cb 0.05 -3.51 0.13 0.00 -2.06 0.00 0.00 37.83 32.45 1a5r s LYS 39 CO -0.09 0.10 0.85 -1.64 0.10 0.00 0.00 175.35 174.67 1a5r s MET 40 N 0.94 3.31 -0.00 1.78 -1.94 -1.21 -4.81 119.30 117.36 1a5r s MET 40 Ca 0.07 -1.64 0.21 0.00 -1.71 0.00 0.00 55.69 52.63 1a5r s MET 40 Cb -0.13 -4.47 -0.20 0.00 2.01 0.00 0.00 34.83 32.03 1a5r s MET 40 CO 0.03 -1.57 0.87 0.25 -0.01 0.00 0.00 175.02 174.59 1a5r n THR 41 N 5.24 0.01 0.00 2.05 -2.24 -1.26 -4.85 114.28 113.22 1a5r n THR 41 Ca 0.05 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1a5r n THR 41 Cb 0.45 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1a5r n THR 41 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1a5r n THR 42 N -1.63 0.00 -4.50 4.28 5.66 -1.26 -5.13 114.28 111.70 1a5r n THR 42 Ca 0.03 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.77 1a5r n THR 42 Cb 0.37 -0.11 -0.08 0.00 -1.55 0.00 0.00 70.33 68.96 1a5r n THR 42 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1a5r s HIS 43 N 0.00 1.78 -2.00 1.09 3.76 -1.26 -4.22 115.29 114.43 1a5r s HIS 43 Ca 0.00 -1.35 0.18 0.00 -0.15 0.00 0.00 55.06 53.74 1a5r s HIS 43 Cb 0.00 -1.11 1.07 0.00 1.11 0.00 0.00 32.58 33.65 1a5r s HIS 43 CO 0.00 -0.38 1.47 1.47 -0.85 0.00 0.00 174.74 176.45 1a5r n LEU 44 N -0.91 0.00 -0.26 0.89 -0.00 -1.25 -3.19 117.00 112.28 1a5r n LEU 44 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.95 1a5r n LEU 44 Cb 0.64 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.25 1a5r n LEU 44 CO 0.34 0.00 1.22 0.07 -0.00 0.00 0.00 177.39 179.02 1a5r h LYS 45 N 0.00 1.09 -0.87 1.47 2.10 -1.91 -2.36 116.57 116.09 1a5r h LYS 45 Ca 0.00 -0.09 0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1a5r h LYS 45 Cb 0.00 -0.23 -0.05 0.00 -0.90 0.00 0.00 32.23 31.05 1a5r h LYS 45 CO 0.00 0.75 0.57 0.87 -2.00 0.00 0.00 179.45 179.65 1a5r h LYS 46 N 1.11 1.13 -0.02 0.07 1.79 -1.88 1.38 116.57 120.14 1a5r h LYS 46 Ca 0.29 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1a5r h LYS 46 Cb -0.06 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.33 1a5r h LYS 46 CO -0.06 0.75 -0.01 1.25 -1.08 0.00 0.00 179.45 180.30 1a5r h LEU 47 N 1.16 0.05 0.00 2.94 7.12 -1.68 -2.95 115.31 121.95 1a5r h LEU 47 Ca 0.33 -0.38 -0.18 0.00 0.13 0.00 0.00 57.88 57.77 1a5r h LEU 47 Cb -0.10 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 1a5r h LEU 47 CO -0.08 0.42 -1.26 0.07 -0.13 0.00 0.00 178.44 177.46 1a5r h LYS 48 N -0.32 0.00 -0.34 1.25 5.09 -1.30 -2.91 116.57 118.03 1a5r h LYS 48 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.67 1a5r h LYS 48 Cb 0.40 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.72 1a5r h LYS 48 CO 0.00 0.42 -0.06 1.05 -2.09 0.00 0.00 179.45 178.77 1a5r h GLU 49 N 0.00 0.65 -0.31 0.07 4.11 0.18 1.39 114.58 120.66 1a5r h GLU 49 Ca -0.14 -0.24 -0.04 0.00 0.07 0.00 0.00 59.36 59.01 1a5r h GLU 49 Cb 1.63 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1a5r h GLU 49 CO 0.06 0.81 0.04 0.77 0.07 0.00 0.00 179.01 180.76 1a5r h SER 50 N 0.44 0.50 -0.84 3.06 0.02 -1.65 1.29 113.55 116.38 1a5r h SER 50 Ca 0.09 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1a5r h SER 50 Cb 0.56 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1a5r h SER 50 CO 0.03 0.64 0.41 0.22 -1.14 0.00 0.00 176.83 176.99 1a5r h TYR 51 N 0.35 1.20 0.12 3.45 3.20 -1.29 -2.30 116.97 121.69 1a5r h TYR 51 Ca 0.09 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 1a5r h TYR 51 Cb 0.36 -0.37 0.02 0.00 1.54 0.00 0.00 36.73 38.27 1a5r h TYR 51 CO 0.02 0.87 -0.70 0.00 -1.64 0.00 0.00 178.16 176.71 1a5r h GLN 53 N -0.43 0.91 0.00 0.00 4.20 0.17 3.88 115.11 123.84 1a5r h GLN 53 Ca -0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1a5r h GLN 53 Cb 1.54 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1a5r h GLN 53 CO 0.13 0.73 0.00 0.07 -0.67 0.00 0.00 178.83 179.10 1a5r h ARG 54 N 0.87 0.00 0.00 1.46 0.11 -1.55 -3.39 114.38 111.88 1a5r h ARG 54 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 1a5r h ARG 54 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1a5r h ARG 54 CO -0.03 0.00 -0.78 1.04 0.10 0.00 0.00 179.97 180.31 1a5r n GLN 55 N -2.99 0.00 -3.46 0.08 6.02 -0.81 -5.03 117.38 111.18 1a5r n GLN 55 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1a5r n GLN 55 Cb 0.37 -0.39 -0.05 0.00 1.02 0.00 0.00 30.24 31.20 1a5r n GLN 55 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1a5r s GLY 56 N -4.99 -0.18 0.09 1.08 0.00 1.28 -4.47 107.32 100.12 1a5r s GLY 56 Ca 0.00 3.03 -0.30 0.00 0.00 0.00 0.00 44.72 47.45 1a5r s GLY 56 CO 0.00 3.10 0.99 0.54 0.00 0.00 0.00 173.10 177.72 1a5r s VAL 57 N 2.25 4.51 0.60 1.40 0.11 -0.74 -4.21 120.40 124.32 1a5r s VAL 57 Ca -0.04 2.01 0.29 0.00 -2.93 0.00 0.00 61.98 61.31 1a5r s VAL 57 Cb -0.06 -4.28 0.36 0.00 -1.53 0.00 0.00 36.38 30.87 1a5r s VAL 57 CO -0.17 0.27 2.07 1.55 -3.33 0.00 0.00 175.10 175.49 1a5r h PRO 58 N 5.87 0.00 -0.45 1.54 0.13 -1.89 -2.64 132.00 134.56 1a5r h PRO 58 Ca -0.42 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.83 1a5r h PRO 58 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1a5r h PRO 58 CO 0.73 0.00 0.33 0.52 -0.23 0.00 0.00 178.00 179.35 1a5r h MET 59 N 0.00 0.00 0.00 0.86 2.86 -1.92 -3.25 114.93 113.48 1a5r h MET 59 Ca 0.09 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.32 1a5r h MET 59 Cb 0.57 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 1a5r h MET 59 CO -0.00 0.00 -2.46 0.27 1.06 0.00 0.00 176.91 175.77 1a5r n ASN 60 N -4.37 1.96 0.00 1.22 0.23 -1.00 -4.94 115.26 108.37 1a5r n ASN 60 Ca 0.08 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1a5r n ASN 60 Cb 0.53 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 1a5r n ASN 60 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1a5r n SER 61 N -3.77 0.00 -4.74 0.53 7.64 -1.23 -5.02 113.62 107.03 1a5r n SER 61 Ca -0.49 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.04 1a5r n SER 61 Cb 0.92 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.04 1a5r n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5r s LEU 62 N 0.00 4.17 -0.13 -3.43 1.02 -1.24 -2.39 118.68 116.67 1a5r s LEU 62 Ca 0.00 0.25 -0.02 0.00 0.02 0.00 0.00 54.13 54.38 1a5r s LEU 62 Cb 0.00 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 1a5r s LEU 62 CO 0.00 0.23 -0.08 -0.60 0.02 0.00 0.00 176.35 175.92 1a5r s ARG 63 N 0.08 3.44 -0.23 1.70 6.06 -0.75 -4.16 118.95 125.09 1a5r s ARG 63 Ca 0.09 -0.58 -0.08 0.00 -2.50 0.00 0.00 55.73 52.66 1a5r s ARG 63 Cb -0.11 -2.77 -0.03 0.00 0.06 0.00 0.00 34.95 32.09 1a5r s ARG 63 CO -0.00 0.29 0.08 -0.06 -2.50 0.00 0.00 175.30 173.11 1a5r s PHE 64 N 0.19 3.14 -0.20 5.12 0.40 -1.26 -0.29 117.98 125.07 1a5r s PHE 64 Ca -0.04 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1a5r s PHE 64 Cb -0.14 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1a5r s PHE 64 CO 0.04 -0.19 0.07 -1.17 0.70 0.00 0.00 175.22 174.67 1a5r s LEU 65 N 1.26 3.73 0.00 -0.37 1.98 0.46 -2.91 118.68 122.83 1a5r s LEU 65 Ca 0.05 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.30 1a5r s LEU 65 Cb -0.14 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 44.75 1a5r s LEU 65 CO 0.04 0.12 0.00 0.33 -1.89 0.00 0.00 176.35 174.95 1a5r n PHE 66 N 3.89 0.00 0.24 5.38 -0.00 -1.12 0.88 117.46 126.73 1a5r n PHE 66 Ca -0.16 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.36 1a5r n PHE 66 Cb 0.52 0.00 0.33 0.00 -0.00 0.00 0.00 39.48 40.33 1a5r n PHE 66 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1a5r n GLU 67 N 0.00 0.08 0.00 -4.13 0.28 -1.26 -4.61 120.64 111.00 1a5r n GLU 67 Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1a5r n GLU 67 Cb 0.00 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1a5r n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a5r n GLY 68 N -0.79 0.65 3.58 -1.84 0.00 -1.26 -5.14 105.19 100.39 1a5r n GLY 68 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1a5r n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a5r s GLN 69 N 0.00 1.92 0.15 1.61 -2.07 -1.26 -5.02 119.66 114.99 1a5r s GLN 69 Ca 0.00 -1.84 -0.32 0.00 -1.82 0.00 0.00 55.36 51.38 1a5r s GLN 69 Cb 0.00 -1.81 -0.12 0.00 -1.09 0.00 0.00 33.01 29.99 1a5r s GLN 69 CO 0.00 0.16 1.77 -2.13 -1.32 0.00 0.00 175.29 173.77 1a5r n ARG 70 N -0.85 2.70 -4.49 9.60 0.00 -1.26 -2.80 116.66 119.56 1a5r n ARG 70 Ca -0.05 0.98 -0.25 0.00 -0.00 0.00 0.00 57.85 58.53 1a5r n ARG 70 Cb 0.63 -2.84 -0.10 0.00 0.00 0.00 0.00 32.46 30.14 1a5r n ARG 70 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1a5r s ILE 71 N 2.02 2.41 0.42 5.15 -4.36 -1.14 -4.92 121.20 120.77 1a5r s ILE 71 Ca 0.80 -2.32 0.08 0.00 -0.26 0.00 0.00 60.65 58.94 1a5r s ILE 71 Cb -0.52 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 40.76 1a5r s ILE 71 CO 0.36 -0.32 0.56 0.00 0.24 0.00 0.00 174.94 175.77 1a5r s ALA 72 N -2.54 4.50 -0.46 2.27 0.00 -1.26 -4.89 121.76 119.37 1a5r s ALA 72 Ca 0.31 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1a5r s ALA 72 Cb -0.02 -1.61 0.43 0.00 0.00 0.00 0.00 23.12 21.92 1a5r s ALA 72 CO 0.16 -0.26 1.39 -0.40 0.00 0.00 0.00 175.76 176.64 1a5r n ASP 73 N -1.83 5.58 -1.08 0.00 5.68 -1.26 -4.68 116.55 118.96 1a5r n ASP 73 Ca 0.07 -3.76 0.04 0.00 -0.50 0.00 0.00 54.79 50.65 1a5r n ASP 73 Cb 0.59 -0.56 0.12 0.00 -1.14 0.00 0.00 41.12 40.13 1a5r n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1a5r n ASN 74 N -0.65 1.54 -4.04 -1.12 0.23 -1.26 -3.72 115.26 106.25 1a5r n ASN 74 Ca 0.46 -3.09 -0.07 0.00 -0.53 0.00 0.00 54.58 51.35 1a5r n ASN 74 Cb 0.74 -0.43 -0.09 0.00 -2.08 0.00 0.00 39.78 37.91 1a5r n ASN 74 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1a5r s HIS 75 N -1.97 0.43 0.13 -2.53 -3.43 -1.26 -4.92 115.29 101.74 1a5r s HIS 75 Ca 0.37 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.68 1a5r s HIS 75 Cb 0.38 -0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.22 1a5r s HIS 75 CO -0.11 -0.41 0.00 2.41 -2.00 0.00 0.00 174.74 174.63 1a5r n THR 76 N 0.10 0.65 0.09 -5.38 -1.04 -1.26 -3.87 114.28 103.56 1a5r n THR 76 Ca -0.14 0.21 0.03 0.00 -2.04 0.00 0.00 64.05 62.11 1a5r n THR 76 Cb 0.61 -1.11 0.40 0.00 -1.82 0.00 0.00 70.33 68.42 1a5r n THR 76 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1a5r h PRO 77 N 0.00 0.33 0.00 -2.82 0.13 -1.93 -0.43 132.00 127.27 1a5r h PRO 77 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1a5r h PRO 77 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1a5r h PRO 77 CO 0.00 0.37 0.00 1.17 -0.23 0.00 0.00 178.00 179.31 1a5r n LYS 78 N -4.34 0.00 -0.13 0.86 4.81 -1.26 -4.26 118.16 113.85 1a5r n LYS 78 Ca 0.00 0.32 0.04 0.00 -0.87 0.00 0.00 58.31 57.81 1a5r n LYS 78 Cb 0.21 -1.25 0.10 0.00 0.02 0.00 0.00 35.03 34.11 1a5r n LYS 78 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a5r n GLU 79 N -1.47 2.87 -0.31 1.64 1.02 -1.26 -4.57 120.64 118.56 1a5r n GLU 79 Ca 0.00 -1.92 0.08 0.00 -0.02 0.00 0.00 57.16 55.30 1a5r n GLU 79 Cb 0.00 -1.21 0.20 0.00 -0.02 0.00 0.00 31.44 30.40 1a5r n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a5r n LEU 80 N 0.03 3.13 -0.54 -4.62 4.32 -0.21 -4.62 117.00 114.50 1a5r n LEU 80 Ca 0.08 -3.16 0.02 0.00 -0.02 0.00 0.00 56.01 52.93 1a5r n LEU 80 Cb 0.40 -0.50 0.07 0.00 -1.62 0.00 0.00 43.42 41.77 1a5r n LEU 80 CO 0.05 0.77 0.45 0.61 -1.22 0.00 0.00 177.39 178.05 1a5r n GLY 81 N -1.02 0.84 3.73 -0.72 0.00 -0.99 -4.77 105.19 102.26 1a5r n GLY 81 Ca 0.20 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1a5r n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a5r s MET 82 N -1.54 4.34 -0.08 1.61 -1.94 -1.26 -5.06 119.30 115.36 1a5r s MET 82 Ca 0.10 0.62 0.03 0.00 -1.71 0.00 0.00 55.69 54.73 1a5r s MET 82 Cb 0.06 -3.41 -0.02 0.00 2.01 0.00 0.00 34.83 33.48 1a5r s MET 82 CO 0.04 0.21 -0.16 -1.83 -0.01 0.00 0.00 175.02 173.27 1a5r s GLU 83 N 0.40 2.86 0.00 2.03 -1.05 -1.26 -4.63 118.70 117.05 1a5r s GLU 83 Ca 0.30 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 1a5r s GLU 83 Cb -0.17 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.10 1a5r s GLU 83 CO 0.14 0.41 0.00 0.39 0.95 0.00 0.00 175.26 177.15 1a5r n GLU 84 N 2.94 0.00 -3.59 -4.83 1.02 -1.22 -4.84 120.64 110.11 1a5r n GLU 84 Ca -0.18 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.68 1a5r n GLU 84 Cb 0.52 -2.88 -0.16 0.00 -0.02 0.00 0.00 31.44 28.91 1a5r n GLU 84 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1a5r s GLU 85 N 0.00 0.25 0.00 3.49 2.02 -1.25 -2.45 118.70 120.76 1a5r s GLU 85 Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.54 1a5r s GLU 85 Cb 0.00 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.74 1a5r s GLU 85 CO 0.00 -0.91 -0.07 0.34 0.02 0.00 0.00 175.26 174.64 1a5r s ASP 86 N 2.04 0.87 -0.00 -0.19 -1.08 0.18 -4.80 116.67 113.69 1a5r s ASP 86 Ca 0.07 -0.18 0.02 0.00 -0.52 0.00 0.00 52.55 51.93 1a5r s ASP 86 Cb -0.16 -0.08 -0.00 0.00 -1.46 0.00 0.00 42.92 41.21 1a5r s ASP 86 CO -0.27 0.06 -0.05 0.54 0.52 0.00 0.00 175.17 175.97 1a5r s VAL 87 N -0.30 0.39 0.01 1.11 0.11 -1.26 -0.84 120.40 119.61 1a5r s VAL 87 Ca 0.02 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1a5r s VAL 87 Cb -0.04 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1a5r s VAL 87 CO -0.00 0.10 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.21 1a5r s ILE 88 N -0.14 0.20 -0.12 7.04 1.01 -0.78 -4.55 121.20 123.86 1a5r s ILE 88 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1a5r s ILE 88 Cb -0.02 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 1a5r s ILE 88 CO -0.00 -0.08 -0.12 -1.61 0.00 0.00 0.00 174.94 173.13 1a5r s GLU 89 N -0.42 3.31 -0.02 2.79 2.02 0.25 -1.94 118.70 124.68 1a5r s GLU 89 Ca -0.03 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.36 1a5r s GLU 89 Cb -0.03 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1a5r s GLU 89 CO -0.00 0.27 -0.23 0.14 0.02 0.00 0.00 175.26 175.45 1a5r s VAL 90 N 0.22 2.30 -0.56 2.63 -7.23 0.70 0.17 120.40 118.63 1a5r s VAL 90 Ca -0.08 -1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 1a5r s VAL 90 Cb -0.15 -1.82 0.14 0.00 0.56 0.00 0.00 36.38 35.10 1a5r s VAL 90 CO 0.05 0.58 0.51 -0.31 -0.31 0.00 0.00 175.10 175.61 1a5r s TYR 91 N -0.65 3.33 -0.14 2.82 2.02 0.60 -3.20 117.35 122.13 1a5r s TYR 91 Ca 0.10 -1.45 -0.07 0.00 -0.37 0.00 0.00 57.07 55.28 1a5r s TYR 91 Cb -0.10 -3.76 -0.04 0.00 -0.40 0.00 0.00 41.96 37.66 1a5r s TYR 91 CO -0.01 -1.01 0.11 -0.65 -1.57 0.00 0.00 175.55 172.42 1a5r s GLN 92 N 1.40 3.59 0.00 -0.62 -0.21 -1.26 -1.80 119.66 120.76 1a5r s GLN 92 Ca 0.05 -0.21 0.22 0.00 0.02 0.00 0.00 55.36 55.44 1a5r s GLN 92 Cb -0.27 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.50 1a5r s GLN 92 CO 0.01 0.61 1.04 0.39 -2.12 0.00 0.00 175.29 175.23 1a5r n GLU 93 N 2.49 1.01 -4.35 2.91 1.02 -1.01 -4.62 120.64 118.09 1a5r n GLU 93 Ca -0.19 -0.80 -0.23 0.00 -0.02 0.00 0.00 57.16 55.92 1a5r n GLU 93 Cb 0.54 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.37 1a5r n GLU 93 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1a5r s GLN 94 N -2.56 1.32 -0.03 3.49 -1.52 -1.26 -5.14 119.66 113.96 1a5r s GLN 94 Ca 0.16 -1.43 0.02 0.00 -1.95 0.00 0.00 55.36 52.16 1a5r s GLN 94 Cb 0.17 -1.43 0.01 0.00 -0.22 0.00 0.00 33.01 31.54 1a5r s GLN 94 CO 0.62 0.30 -0.07 -0.08 -0.25 0.00 0.00 175.29 175.80 1a5r s THR 95 N -1.96 0.68 -0.03 -0.19 -1.32 -1.26 -4.96 115.64 106.60 1a5r s THR 95 Ca 0.17 -0.29 -0.26 0.00 -1.21 0.00 0.00 61.69 60.10 1a5r s THR 95 Cb -0.06 -0.63 -0.20 0.00 -1.51 0.00 0.00 72.50 70.10 1a5r s THR 95 CO 0.07 0.23 1.22 1.23 -2.21 0.00 0.00 174.62 175.16 1a5r h GLY 96 N 6.55 -0.03 0.00 6.08 0.00 -1.75 -3.46 103.07 110.46 1a5r h GLY 96 Ca -0.34 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1a5r h GLY 96 CO 0.49 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.63 1a5r n GLY 97 N 0.29 3.08 0.10 4.60 0.00 -1.26 -1.56 105.19 110.44 1a5r n GLY 97 Ca -0.09 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1a5r n GLY 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1a5r n HIS 98 N 13.22 0.60 -4.40 1.61 1.44 -1.26 -4.73 115.22 121.69 1a5r n HIS 98 Ca 0.00 0.24 -0.23 0.00 -2.01 0.00 0.00 57.72 55.72 1a5r n HIS 98 Cb 0.00 -0.88 -0.11 0.00 0.12 0.00 0.00 29.99 29.12 1a5r n HIS 98 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1a5r s SER 99 N -3.92 3.14 0.42 4.39 1.04 -0.60 -5.03 113.70 113.14 1a5r s SER 99 Ca 0.05 -0.96 0.08 0.00 0.48 0.00 0.00 55.95 55.60 1a5r s SER 99 Cb 0.09 -0.22 0.90 0.00 0.10 0.00 0.00 66.02 66.89 1a5r s SER 99 CO 0.36 -0.01 2.07 0.74 0.98 0.00 0.00 173.24 177.38 1a5r h THR 100 N 2.73 1.10 0.00 2.02 2.02 -1.85 -3.35 112.91 115.58 1a5r h THR 100 Ca -0.41 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1a5r h THR 100 Cb 1.23 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1a5r h THR 100 CO 0.56 0.09 0.00 0.55 0.37 0.00 0.00 175.52 177.09